2-[4-(azepan-1-yl)-1-oxophthalazin-2(1H)-yl]-N-(3,4-dimethylphenyl)acetamide
Chemical Structure Depiction of
2-[4-(azepan-1-yl)-1-oxophthalazin-2(1H)-yl]-N-(3,4-dimethylphenyl)acetamide
2-[4-(azepan-1-yl)-1-oxophthalazin-2(1H)-yl]-N-(3,4-dimethylphenyl)acetamide
Compound characteristics
| Compound ID: | M183-0752 |
| Compound Name: | 2-[4-(azepan-1-yl)-1-oxophthalazin-2(1H)-yl]-N-(3,4-dimethylphenyl)acetamide |
| Molecular Weight: | 404.51 |
| Molecular Formula: | C24 H28 N4 O2 |
| Smiles: | Cc1ccc(cc1C)NC(CN1C(c2ccccc2C(=N1)N1CCCCCC1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.5961 |
| logD: | 4.5961 |
| logSw: | -4.2154 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 53.717 |
| InChI Key: | MKUPYVAFQGBBQW-UHFFFAOYSA-N |